ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate

C14H30N2O4S — CID 79842103

IUPACethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
SMILESCCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C14H30N2O4S/c1-6-15-14(3,13(17)20-7-2)9-8-10-16(4)11-12-21(5,18)19/h15H,6-12H2,1-5H3
InChIKeyFJUPPEUOJRMKMF-UHFFFAOYSA-N
MW322.47 g/mol
LogP0.67
Rot. Bonds11

About ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate

ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate (PubChem CID 79842103) has the molecular formula C14H30N2O4S and a molecular weight of 322.47 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
PubChem CID79842103
Molecular FormulaC14H30N2O4S
Molecular Weight322.47 g/mol
Exact Mass322.19
IUPAC Nameethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
SMILESCCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C14H30N2O4S/c1-6-15-14(3,13(17)20-7-2)9-8-10-16(4)11-12-21(5,18)19/h15H,6-12H2,1-5H3
InChIKeyFJUPPEUOJRMKMF-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate (CID 79842103) is ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate is CCNC(C)(CCCN(C)CCS(C)(=O)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate?
The InChIKey is FJUPPEUOJRMKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S/c1-6-15-14(3,13(17)20-7-2)9-8-10-16(4)11-12-21(5,18)19/h15H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate?
ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate has a molecular weight of 322.47 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate is sourced from PubChem (CID 79842103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).